N-(3-methylbutylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C17H23N5O2S/c1-11(2)8-9-18-16(24)19-14(23)10-25-17-20-15(21-22-17)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,21,22)(H2,18,19,23,24)